Uracil-5-boronic acid

C₄H₅BN₂O₄CAS 70523-22-7155.90 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₄H₅BN₂O₄
Molar mass: 155.90 g/mol
Exact mass: 156.0342 Da
logP: -3.26Crippen estimate
Polar surface area: 106.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

70523-22-7

SMILES

B(C1=CNC(=O)NC1=O)(O)O

InChIKey

PVEJOCQTIVCDNO-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

Work with Uracil-5-boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Uracil-5-carboxylic acid monohydrate69727-34-041 % similar 5-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-333 % similar 2'-Deoxypseudouridine39967-60-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook